7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene

C15H19ClN2O — CID 143031960

IUPAC7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene
SMILESC=C.CCc1cc(Cl)c2c(c1)C1CNCCN1C2=O
InChIInChI=1S/C13H15ClN2O.C2H4/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8;1-2/h5-6,11,15H,2-4,7H2,1H3;1-2H2
InChIKeyMETKLVBTECLUGG-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.80
Rot. Bonds1

About 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene

7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene (PubChem CID 143031960) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene.

Molecular Properties

Compound Name7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene
PubChem CID143031960
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene
SMILESC=C.CCc1cc(Cl)c2c(c1)C1CNCCN1C2=O
InChIInChI=1S/C13H15ClN2O.C2H4/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8;1-2/h5-6,11,15H,2-4,7H2,1H3;1-2H2
InChIKeyMETKLVBTECLUGG-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene with MolForge

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Related Compounds

(10bR)-9-ethyl-7-(hydroxymethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;(10bS)-9-ethyl-7-(hydroxymethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;dihydrochloride
CID 160920259
(10bR)-9-ethyl-7-propyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;(10bS)-9-ethyl-7-propyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;dihydrochloride
CID 161449112
(10bS)-9-ethyl-7-(trifluoromethoxy)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 58911522
(10bR)-9-ethyl-7-propan-2-ylsulfanyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;(10bS)-9-ethyl-7-propan-2-ylsulfanyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;dihydrochloride
CID 158877938
(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11207650
(10bR)-7-chloro-9-(cyclobutylmethoxy)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
CID 11175295
(10bS)-7,8-dichloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;hydrochloride
CID 68687590
(3aR,9bS)-6-chloro-8-ethyl-4-methyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one
CID 11652359
(3aR,9bS)-6-chloro-4,8-diethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
CID 11573245
(10bR)-9-(1-methylcyclopropyl)-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11233293
(11aR)-9-ethyl-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
CID 58911653
6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84637887

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene?
The IUPAC name of 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene (CID 143031960) is 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene.
What is the SMILES notation for 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene?
The canonical SMILES for 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene is C=C.CCc1cc(Cl)c2c(c1)C1CNCCN1C2=O.
What is the InChIKey of 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene?
The InChIKey is METKLVBTECLUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.C2H4/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8;1-2/h5-6,11,15H,2-4,7H2,1H3;1-2H2.
What are the key properties of 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene?
7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene has a molecular weight of 278.78 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene is sourced from PubChem (CID 143031960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).